Geometry & MOs

Info

ID:

435125

PubChem CID:

135181301

Reduced:

ClSN3O5F9H19C24 (1)

Stoich.:

ABC3D5E9F19G24 (1)

Weight, g/mol:

954.3974

ΔHf, kcal/mol:

-587.54

Dipole, Da:

1.22

IP(EA), eV:

 -10.12(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-benzyl-4-(2-benzylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NOC(C2)(C3=CC(=CC(=C3)Cl)C(F)(F)F)C(F)(F)F)C(=O)NC4CN(C4)S(=O)(=O)OCC(F)(F)F

DOS

IR

Vibrations